6-[(2-methylcyclopentyl)amino]-5-nitropyridine-3-carbonitrile

C12H14N4O2 — CID 103471641

IUPAC6-[(2-methylcyclopentyl)amino]-5-nitropyridine-3-carbonitrile
SMILESCC1CCCC1Nc1ncc(C#N)cc1[N+](=O)[O-]
InChIInChI=1S/C12H14N4O2/c1-8-3-2-4-10(8)15-12-11(16(17)18)5-9(6-13)7-14-12/h5,7-8,10H,2-4H2,1H3,(H,14,15)
InChIKeyFPHTWAKHPLALKZ-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.46
Rot. Bonds3

About 6-[(2-methylcyclopentyl)amino]-5-nitropyridine-3-carbonitrile

6-[(2-methylcyclopentyl)amino]-5-nitropyridine-3-carbonitrile (PubChem CID 103471641) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-[(2-methylcyclopentyl)amino]-5-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(2-methylcyclopentyl)amino]-5-nitropyridine-3-carbonitrile
PubChem CID103471641
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name6-[(2-methylcyclopentyl)amino]-5-nitropyridine-3-carbonitrile
SMILESCC1CCCC1Nc1ncc(C#N)cc1[N+](=O)[O-]
InChIInChI=1S/C12H14N4O2/c1-8-3-2-4-10(8)15-12-11(16(17)18)5-9(6-13)7-14-12/h5,7-8,10H,2-4H2,1H3,(H,14,15)
InChIKeyFPHTWAKHPLALKZ-UHFFFAOYSA-N
XLogP2.46
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[(4,4-dimethylcyclohexyl)amino]-5-nitropyridine-3-carbonitrile
CID 103471718
4-[(2-methylcyclohexyl)amino]-3-nitrobenzonitrile
CID 16960023
6-(cyclobutylmethylamino)-5-nitropyridine-3-carbonitrile
CID 103471221
6-(azepan-3-ylamino)-5-nitropyridine-3-carbonitrile
CID 103472329
5-nitro-6-[(2-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile
CID 103471557
6-[(1,1-dioxothiolan-3-yl)amino]-5-nitropyridine-3-carbonitrile
CID 103471174
6-hydrazinyl-5-nitropyridine-3-carbonitrile
CID 103470111
3-bromo-4-methyl-N-(2-methylcycloheptyl)-5-nitropyridin-2-amine
CID 104508055
6-(3-cyclopentylpropylamino)-5-nitropyridine-3-carbonitrile
CID 106013027
3-bromo-N-(2-methylcyclohexyl)-5-nitropyridin-2-amine
CID 79534514
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-3-nitropyridin-2-amine
CID 11938982
5-nitro-6-(oxetan-2-ylmethylamino)pyridine-3-carbonitrile
CID 170428144

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylcyclopentyl)amino]-5-nitropyridine-3-carbonitrile?
The IUPAC name of 6-[(2-methylcyclopentyl)amino]-5-nitropyridine-3-carbonitrile (CID 103471641) is 6-[(2-methylcyclopentyl)amino]-5-nitropyridine-3-carbonitrile.
What is the SMILES notation for 6-[(2-methylcyclopentyl)amino]-5-nitropyridine-3-carbonitrile?
The canonical SMILES for 6-[(2-methylcyclopentyl)amino]-5-nitropyridine-3-carbonitrile is CC1CCCC1Nc1ncc(C#N)cc1[N+](=O)[O-].
What is the InChIKey of 6-[(2-methylcyclopentyl)amino]-5-nitropyridine-3-carbonitrile?
The InChIKey is FPHTWAKHPLALKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8-3-2-4-10(8)15-12-11(16(17)18)5-9(6-13)7-14-12/h5,7-8,10H,2-4H2,1H3,(H,14,15).
What are the key properties of 6-[(2-methylcyclopentyl)amino]-5-nitropyridine-3-carbonitrile?
6-[(2-methylcyclopentyl)amino]-5-nitropyridine-3-carbonitrile has a molecular weight of 246.27 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylcyclopentyl)amino]-5-nitropyridine-3-carbonitrile is sourced from PubChem (CID 103471641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).